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Sugi Predict / Compounds / Teniposide

Teniposide

Teniposide

SCHEMBL28858804

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1.COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5COC(c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O.O=c1nc[nH]c2nc[nH]c12.c1ncc2[nH]cnc2n1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TOP2ATOP2B

The experimentally established mechanism targets of Teniposide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP2A known ✓ P11388 4/20 0.48
▸ TOP2B known ✓ Q02880 4/20 0.48
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ GAA P10253 4/20 0.48
▸ CYP3A4 P08684 4/20 0.48
▸ USP2 O75604 3/20 0.48
▸ NCOA3 Q9Y6Q9 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ TOP1 P11387 10/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ BRCA1 P38398 2/20 0.40
▸ CASP7 P55210 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Teniposide SCHEMBL5969910 0.89 SMN1; SMN2 (0.61) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Teniposide SCHEMBL5324539 0.87 SMN1; SMN2 (0.58) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Teniposide SCHEMBL2872864 0.86 SMN1; SMN2 (0.56) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Etoposide SCHEMBL1276328 0.82 SMN1; SMN2 (0.57) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Teniposide SCHEMBL1276780 0.82 GAA (0.66) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Teniposide SCHEMBL4763786 0.79 GAA (0.49) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Teniposide SCHEMBL8350778 0.76 GAA (0.53) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Etoposide SCHEMBL14931202 0.75 GAA (0.61) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Etoposide SCHEMBL18921683 0.75 GAA (0.61) SMN1; SMN2GAACYP3A4TOP2ATOP2B
Irinotecan SCHEMBL17102276 0.74 GAA (0.54) SMN1; SMN2GAACYP3A4TOP2ATOP2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847572-A Vaccine for treatment of cancer and prevention 艾吉纳斯公司 2018-03-27 — — CN disclosed